2,2-dibromo-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-methylcyclopropane-1-carboxamide
TL;DR: 2,2-dibromo-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-methylcyclopropane-1-carboxamide (CAS 445020-63-3) is a chemical compound with molecular formula C14H14Br2N2OS and molecular weight 415.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-dibromo-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-methylcyclopropane-1-carboxamide
Also Known As: 2,2-dibromo-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-methylcyclopropane-1-carboxamide, 2,2-dibromo-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-methylcyclopropanecarboxamide, (2,2-dibromo-1-methylcyclopropyl)-N-(3-cyano(4,5,6,7-tetrahydrobenzo[b]thiophe n-2-yl))carboxamide, 2,2-dibromo-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-1-methylcyclopropanecarboxamide
| Molecular Formula | C14H14Br2N2OS |
|---|---|
| Molecular Weight | 415.92 g/mol |
| LogP | 4.33318 |
| Topological Polar Surface Area | 52.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 415.91937 |
| Heavy Atoms | 20 |
| Complexity | 631.8538 |
Chemical Identifiers
| CAS Number | 445020-63-3 |
|---|---|
| SMILES | CC1(CC1(Br)Br)C(=O)NC2=C(C3=C(S2)CCCC3)C#N |
Product Overview
2,2-dibromo-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-methylcyclopropane-1-carboxamide (CAS 445020-63-3), with molecular formula C14H14Br2N2OS and molecular weight 415.92 g/mol. IUPAC: 2,2-dibromo-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-methylcyclopropane-1-carboxamide.
Chemical Property Profile of 2,2-dibromo-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-methylcyclopropane-1-carboxamide
Property Insights of 2,2-dibromo-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-methylcyclopropane-1-carboxamide
The XLogP value of 4.33318 indicates that 2,2-dibromo-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-methylcyclopropane-1-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.89 Ų, 2,2-dibromo-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-methylcyclopropane-1-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2-dibromo-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-methylcyclopropane-1-carboxamide has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2,2-dibromo-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-methylcyclopropane-1-carboxamide?
The CAS number of 2,2-dibromo-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-methylcyclopropane-1-carboxamide is 445020-63-3.
What is the molecular formula of 2,2-dibromo-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-methylcyclopropane-1-carboxamide?
The molecular formula of 2,2-dibromo-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-methylcyclopropane-1-carboxamide is C14H14Br2N2OS.
What is the molecular weight of 2,2-dibromo-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-methylcyclopropane-1-carboxamide?
The molecular weight of 2,2-dibromo-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-methylcyclopropane-1-carboxamide is 415.92 g/mol.
Where can I buy 2,2-dibromo-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-methylcyclopropane-1-carboxamide?
You can request a quote for 2,2-dibromo-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-methylcyclopropane-1-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2-dibromo-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-methylcyclopropane-1-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 2,2-dibromo-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-methylcyclopropane-1-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.